SCHEMBL27290971

SCHEMBL27290971

CCCOC(=O)N(N)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 4/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 2/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 2/20 0.40
ADORA2B P29275 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27397710 0.82 ALDH1A1 (0.40) HDAC3HDAC1HDAC2ALDH1A1KMT2A
SCHEMBL8852471 0.81 ADORA2B (0.40) HDAC3HDAC1HDAC2ALDH1A1KMT2A
SCHEMBL5337380 0.75 GBA1 (0.37) HDAC1HDAC2ALDH1A1LMNAMAPT
SCHEMBL25828609 0.73 POLB (0.51) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL16334418 0.71 DAO (0.43) HDAC1ALDH1A1KMT2AHPGDLMNA
SCHEMBL9495199 0.69 ALDH1A1 (0.61) ALDH1A1KMT2AHPGDLMNAMEN1
SCHEMBL26327837 0.69 TP53 (0.43) ALDH1A1KMT2AHPGDLMNAMEN1
Hydrochloric Acid SCHEMBL27388065 0.68 ALDH1A1 (0.60) ALDH1A1KMT2AHPGDLMNAMEN1
SCHEMBL6381637 0.68 LMNA (0.51) HDAC1ALDH1A1KMT2AHPGDLMNA
SCHEMBL9495408 0.67 NPC1 (0.58) ALDH1A1KMT2AHPGDMEN1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1037568-C Phosphosulfonate herbicides ROHM & HAAS (US) 1998-03-04 CN disclosed